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Compound Detail

CHEMBL1851932

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COc1cc(Br)cc(C(=O)NCCCN2CCN(C3CCCCC3)CC2)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1851932
Phase Preclinical
Structure Type MOL
InChI Key WLGIYODPDVNPST-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

468.4
MW (Da)
3.54
ALogP
5
HBA
1
HBD
54.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H34BrN3O3
MW 468.44
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness -1.08

Data from ChEMBL 36 via Core Engine